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Chemical structure of Vactosertib Hydrochloride

GC37880

Vactosertib Hydrochloride

Also known as 2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline;hydrochloride

Vactosertib Hydrochloride (EW-7197 Hydrochloride) is a potent, orally active and ATP-competitive activin receptor-like kinase 5 (ALK5) inhibitor with an IC50 of 12·9 nM· Vactosertib Hydrochloride also inhibits ALK2 and ALK4 (IC50 of 17·3 nM) at nanomolar concentrations· Vactosertib Hydrochloride has potently antimetastatic activity and anticancer effect

ChemicalCAS1352610-25-3MW435.88FormulaC22H19ClFN7
CAS number
1352610-25-3
Molecular weight
435.88
Formula
C22H19ClFN7
Solubility
Water: 50 mg/mL (114·71 mM); DMSO: 50 mg/mL (114·71 mM)
InChIKey
UDRJLVATGDHMJM-UHFFFAOYSA-N
Catalogue number
GC37880
Brand
GLPBIO
Computed properties PubChem CID 54766014 · TPSA 83.8 Ų · H-bond donors 3 · H-bond acceptors 6
TPSA
83.8 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31

SMILES CC1=NC(=CC=C1)C2=C(N=C(N2)CNC3=CC=CC=C3F)C4=CN5C(=NC=N5)C=C4.Cl

Computed descriptors from PubChem (CID 54766014), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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